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Influence of substituents on bond lengths

✍ Scribed by H. Hayd; H. Savin; A. Stoll; H. Preuss; G. Becker


Book ID
119117265
Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
618 KB
Volume
165
Category
Article
ISSN
0166-1280

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An ab initio study of the influence of s
✍ Charles W. Bock; Mendel Trachtman; Philip George πŸ“‚ Article πŸ“… 1981 πŸ› John Wiley and Sons 🌐 English βš– 597 KB

The C=O bond length and fc=o,c=o, the corresponding harmonic stretching force constant, are calculated ab initio using the 4-31G basis set (augmented by polarization functions on the sulfur and chlorine) with full geometry optimization for the monosubstituted carbonyl compounds RCHO, where R = H, CH